4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine

C13H27N — CID 139504017

IUPAC4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine
SMILESC=C(C)NCCCC(C)C(C)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)13(6)12(5)8-7-9-14-11(3)4/h10,12-14H,3,7-9H2,1-2,4-6H3
InChIKeyYKQJNIRDDYXMIG-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.82
Rot. Bonds7

About 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine

4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine (PubChem CID 139504017) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine.

Molecular Properties

Compound Name4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine
PubChem CID139504017
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine
SMILESC=C(C)NCCCC(C)C(C)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)13(6)12(5)8-7-9-14-11(3)4/h10,12-14H,3,7-9H2,1-2,4-6H3
InChIKeyYKQJNIRDDYXMIG-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
CID 168959940
2,3,4,22,23-pentamethyl-12-methylidenepentacosane
CID 123137231
2-(prop-1-en-2-ylamino)ethanol
CID 15413083
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907
(NZ)-N-[5-(prop-1-en-2-ylamino)pentan-2-ylidene]hydroxylamine
CID 145467915
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
1-N-butyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 170319243
5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine
CID 170194106
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
CID 170603278

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine?
The IUPAC name of 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine (CID 139504017) is 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine.
What is the SMILES notation for 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine?
The canonical SMILES for 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine is C=C(C)NCCCC(C)C(C)C(C)C.
What is the InChIKey of 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine?
The InChIKey is YKQJNIRDDYXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)13(6)12(5)8-7-9-14-11(3)4/h10,12-14H,3,7-9H2,1-2,4-6H3.
What are the key properties of 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine?
4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine is sourced from PubChem (CID 139504017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).